Re: [gmx-users] Fatal error: * of the *** bonded interactions could not be calculated because ...

[Chang Woon Jang]

Dear Justin,

 Search engine give a clue about using -nt options. However, how to
choose the proper number for -nt option from the error message?

Thank you.

Best regards,
Changwoon Jang

On Tue, Aug 30, 2016 at 12:02 PM, Justin Lemkul  wrote:

>
>
> On 8/30/16 11:52 AM, Chang Woon Jang wrote:
>
>> Dear Justin Lemkul,
>>
>> Thank you for your answers. The following is the error message after I
>> run " gmx mdrun -s topol.tpr -c confgout.gro -o traj.trr -x traj.xtc -rdd
>> 2.5".
>>
>>
>> Initializing Domain Decomposition on 8 ranks
>> Dynamic load balancing: auto
>> Will sort the charge groups at every domain (re)decomposition
>> Minimum cell size due to bonded interactions: 2.500 nm
>> Scaling the initial minimum size with 1/0.8 (option -dds) = 1.25
>> Optimizing the DD grid for 8 cells with a minimum initial size of 3.125 nm
>> The maximum allowed number of cells is: X 1 Y 1 Z 1
>>
>> ---
>> Program gmx, VERSION 5.0.8-dev-20151014-1f04b58
>> Source code file:
>> /home/chang/PACKAGE/votca/src/gromacs/src/gromacs/mdlib/domdec.c, line:
>> 6902
>>
>> Fatal error:
>> There is no domain decomposition for 8 ranks that is compatible with the
>> given box and a minimum cell size of 3.125 nm
>> Change the number of ranks or mdrun option -rdd or -dds
>> Look in the log file for details on the domain decomposition
>> For more information and tips for troubleshooting, please check the
>> GROMACS
>> website at http://www.gromacs.org/Documentation/Errors
>> ---
>>
>>
> And what does Google tell you about this particular case?  Hint: the same
> error gets posted to this list pretty much weekly, if not more often.  It's
> been rationalized and solved time and time again.
>
> -Justin
>
>
>
>> Best regards,
>> Changwoon Jang
>>
>>
>> On Tue, Aug 30, 2016 at 11:30 AM, Justin Lemkul  wrote:
>>
>>
>>>
>>> On 8/30/16 10:41 AM, Chang Woon Jang wrote:
>>>
>>> Dear Justin Lemkul,
 Thank you for your response. Yes, I use coarse-grained system
 (thermosetting polymer). I prepared the system from the equilibrated
 atomistic system. The atomistic system was equilibrated using OPLS-AA
 force
 filed under NPT and NVT for almost 40 ns. The initial atomistic system
 contained 13854 atoms. The equilibrated atomistic system was
 coarese-grained (mapped) with certain criteria. Now, I am trying to get
 CG
 potentials using iterative Boltzmann Inversion, but this error keeps me
 dizzy.

 Whenever I use -rdd options, it gives another error like domain
 decomposition error with other options recommended. Whenever I use -nt


>>> Please always post exact error messages, copied and pasted directly from
>>> the terminal or .log file.  We can't guess at what you're reading.
>>>
>>> options, the simulation goes well but the simulation trajectory seem
>>> weird
>>>
 that some molecules are going out the simulation box


 This is just PBC.  There is no "outside" of a box.  If you've got
>>> polymers, they will elongate and contract depending on their physical
>>> behavior.  There's nothing wrong with that.
>>>
>>> -Justin
>>>
>>>
>>> It seems tricky to find what is the problem.
>>>

 Thank you.

 Best regards,
 Changwoon Jang

 On Tue, Aug 30, 2016 at 8:37 AM, Justin Lemkul  wrote:



> On 8/29/16 6:02 PM, Chang Woon Jang wrote:
>
> Dear Gromacs Users,
>
>>
>>
>> I have a Fatal error as follow. The error says -rdd option or
>> -ddcheck.
>> How
>> can I properly use these options? Is the following command the proper
>> use
>> of these options?
>>
>> gmx mdrun -s topol.tpr -c confout.gro -o traj.trr -x traj.xtc -rdd 1.5
>>
>>
>>> -ddcheck
>>>
>>
>>
>> Yes, but note that -ddcheck is on by default anyway, and you should
>> look
>>
> into why this might be happening.  You can get around this error, but
> it
> often indicates instability.  Without a complete description of what
> your
> system is, what you've previously done to prepare, minimize,
> equilibrate,
> etc. we're sort of just guessing here.  If the system is coarse grain,
> then
> use of a large -rdd is typical (as you will see from many threads in
> the
> archive that address this case specifically).
>
> -Justin
>
> Thank you.
>
>
>>
>> 1 of the 1612 bonded interactions could not be calculated because some
>> atoms involved moved further apart than the multi-body cut-off
>> distance
>> (1.5 nm) or the two-body cut-off distance (1.5 nm), see option -rdd,
>> for
>> pairs and tabulated bonds also see option -ddcheck
>> For more information and tips for troubleshooting, please check the
>> GROMACS
>>
>>
>>

Re: [gmx-users] Fatal error: * of the *** bonded interactions could not be calculated because ...

[Justin Lemkul]

On 8/30/16 11:52 AM, Chang Woon Jang wrote:

Dear Justin Lemkul,

Thank you for your answers. The following is the error message after I
run " gmx mdrun -s topol.tpr -c confgout.gro -o traj.trr -x traj.xtc -rdd
2.5".


Initializing Domain Decomposition on 8 ranks
Dynamic load balancing: auto
Will sort the charge groups at every domain (re)decomposition
Minimum cell size due to bonded interactions: 2.500 nm
Scaling the initial minimum size with 1/0.8 (option -dds) = 1.25
Optimizing the DD grid for 8 cells with a minimum initial size of 3.125 nm
The maximum allowed number of cells is: X 1 Y 1 Z 1

---
Program gmx, VERSION 5.0.8-dev-20151014-1f04b58
Source code file:
/home/chang/PACKAGE/votca/src/gromacs/src/gromacs/mdlib/domdec.c, line: 6902

Fatal error:
There is no domain decomposition for 8 ranks that is compatible with the
given box and a minimum cell size of 3.125 nm
Change the number of ranks or mdrun option -rdd or -dds
Look in the log file for details on the domain decomposition
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
---



And what does Google tell you about this particular case?  Hint: the same error 
gets posted to this list pretty much weekly, if not more often.  It's been 
rationalized and solved time and time again.


-Justin



Best regards,
Changwoon Jang


On Tue, Aug 30, 2016 at 11:30 AM, Justin Lemkul  wrote:




On 8/30/16 10:41 AM, Chang Woon Jang wrote:


Dear Justin Lemkul,
Thank you for your response. Yes, I use coarse-grained system
(thermosetting polymer). I prepared the system from the equilibrated
atomistic system. The atomistic system was equilibrated using OPLS-AA
force
filed under NPT and NVT for almost 40 ns. The initial atomistic system
contained 13854 atoms. The equilibrated atomistic system was
coarese-grained (mapped) with certain criteria. Now, I am trying to get CG
potentials using iterative Boltzmann Inversion, but this error keeps me
dizzy.

Whenever I use -rdd options, it gives another error like domain
decomposition error with other options recommended. Whenever I use -nt



Please always post exact error messages, copied and pasted directly from
the terminal or .log file.  We can't guess at what you're reading.

options, the simulation goes well but the simulation trajectory seem weird

that some molecules are going out the simulation box



This is just PBC.  There is no "outside" of a box.  If you've got
polymers, they will elongate and contract depending on their physical
behavior.  There's nothing wrong with that.

-Justin


It seems tricky to find what is the problem.


Thank you.

Best regards,
Changwoon Jang

On Tue, Aug 30, 2016 at 8:37 AM, Justin Lemkul  wrote:




On 8/29/16 6:02 PM, Chang Woon Jang wrote:

Dear Gromacs Users,



I have a Fatal error as follow. The error says -rdd option or -ddcheck.
How
can I properly use these options? Is the following command the proper
use
of these options?

gmx mdrun -s topol.tpr -c confout.gro -o traj.trr -x traj.xtc -rdd 1.5



-ddcheck



Yes, but note that -ddcheck is on by default anyway, and you should look

into why this might be happening.  You can get around this error, but it
often indicates instability.  Without a complete description of what your
system is, what you've previously done to prepare, minimize, equilibrate,
etc. we're sort of just guessing here.  If the system is coarse grain,
then
use of a large -rdd is typical (as you will see from many threads in the
archive that address this case specifically).

-Justin

Thank you.




1 of the 1612 bonded interactions could not be calculated because some
atoms involved moved further apart than the multi-body cut-off distance
(1.5 nm) or the two-body cut-off distance (1.5 nm), see option -rdd, for
pairs and tabulated bonds also see option -ddcheck
For more information and tips for troubleshooting, please check the
GROMACS




Best regards,
Changwoon Jang,


--

==

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalem...@outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

==
--
Gromacs Users mailing list

* Please search the archive at http://www.gromacs.org/Support
/Mailing_Lists/GMX-Users_List before posting!

* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

* For (un)subscribe requests visit
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send a mail to gmx-users-requ...@gromacs.org.







--
==

Justin A. Lemkul, 

Re: [gmx-users] Fatal error: * of the *** bonded interactions could not be calculated because ...

[Chang Woon Jang]

Dear Justin Lemkul,

Thank you for your answers. The following is the error message after I
run " gmx mdrun -s topol.tpr -c confgout.gro -o traj.trr -x traj.xtc -rdd
2.5".


Initializing Domain Decomposition on 8 ranks
Dynamic load balancing: auto
Will sort the charge groups at every domain (re)decomposition
Minimum cell size due to bonded interactions: 2.500 nm
Scaling the initial minimum size with 1/0.8 (option -dds) = 1.25
Optimizing the DD grid for 8 cells with a minimum initial size of 3.125 nm
The maximum allowed number of cells is: X 1 Y 1 Z 1

---
Program gmx, VERSION 5.0.8-dev-20151014-1f04b58
Source code file:
/home/chang/PACKAGE/votca/src/gromacs/src/gromacs/mdlib/domdec.c, line: 6902

Fatal error:
There is no domain decomposition for 8 ranks that is compatible with the
given box and a minimum cell size of 3.125 nm
Change the number of ranks or mdrun option -rdd or -dds
Look in the log file for details on the domain decomposition
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
---


Best regards,
Changwoon Jang


On Tue, Aug 30, 2016 at 11:30 AM, Justin Lemkul  wrote:

>
>
> On 8/30/16 10:41 AM, Chang Woon Jang wrote:
>
>> Dear Justin Lemkul,
>> Thank you for your response. Yes, I use coarse-grained system
>> (thermosetting polymer). I prepared the system from the equilibrated
>> atomistic system. The atomistic system was equilibrated using OPLS-AA
>> force
>> filed under NPT and NVT for almost 40 ns. The initial atomistic system
>> contained 13854 atoms. The equilibrated atomistic system was
>> coarese-grained (mapped) with certain criteria. Now, I am trying to get CG
>> potentials using iterative Boltzmann Inversion, but this error keeps me
>> dizzy.
>>
>> Whenever I use -rdd options, it gives another error like domain
>> decomposition error with other options recommended. Whenever I use -nt
>>
>
> Please always post exact error messages, copied and pasted directly from
> the terminal or .log file.  We can't guess at what you're reading.
>
> options, the simulation goes well but the simulation trajectory seem weird
>> that some molecules are going out the simulation box
>>
>>
> This is just PBC.  There is no "outside" of a box.  If you've got
> polymers, they will elongate and contract depending on their physical
> behavior.  There's nothing wrong with that.
>
> -Justin
>
>
> It seems tricky to find what is the problem.
>>
>> Thank you.
>>
>> Best regards,
>> Changwoon Jang
>>
>> On Tue, Aug 30, 2016 at 8:37 AM, Justin Lemkul  wrote:
>>
>>
>>>
>>> On 8/29/16 6:02 PM, Chang Woon Jang wrote:
>>>
>>> Dear Gromacs Users,


 I have a Fatal error as follow. The error says -rdd option or -ddcheck.
 How
 can I properly use these options? Is the following command the proper
 use
 of these options?

 gmx mdrun -s topol.tpr -c confout.gro -o traj.trr -x traj.xtc -rdd 1.5

>
> -ddcheck


 Yes, but note that -ddcheck is on by default anyway, and you should look
>>> into why this might be happening.  You can get around this error, but it
>>> often indicates instability.  Without a complete description of what your
>>> system is, what you've previously done to prepare, minimize, equilibrate,
>>> etc. we're sort of just guessing here.  If the system is coarse grain,
>>> then
>>> use of a large -rdd is typical (as you will see from many threads in the
>>> archive that address this case specifically).
>>>
>>> -Justin
>>>
>>> Thank you.
>>>


 1 of the 1612 bonded interactions could not be calculated because some
 atoms involved moved further apart than the multi-body cut-off distance
 (1.5 nm) or the two-body cut-off distance (1.5 nm), see option -rdd, for
 pairs and tabulated bonds also see option -ddcheck
 For more information and tips for troubleshooting, please check the
 GROMACS




 Best regards,
 Changwoon Jang,


 --
>>> ==
>>>
>>> Justin A. Lemkul, Ph.D.
>>> Ruth L. Kirschstein NRSA Postdoctoral Fellow
>>>
>>> Department of Pharmaceutical Sciences
>>> School of Pharmacy
>>> Health Sciences Facility II, Room 629
>>> University of Maryland, Baltimore
>>> 20 Penn St.
>>> Baltimore, MD 21201
>>>
>>> jalem...@outerbanks.umaryland.edu | (410) 706-7441
>>> http://mackerell.umaryland.edu/~jalemkul
>>>
>>> ==
>>> --
>>> Gromacs Users mailing list
>>>
>>> * Please search the archive at http://www.gromacs.org/Support
>>> /Mailing_Lists/GMX-Users_List before posting!
>>>
>>> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>>>
>>> * For (un)subscribe requests visit
>>> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
>>> send 

Re: [gmx-users] Fatal error: * of the *** bonded interactions could not be calculated because ...

[Justin Lemkul]

On 8/30/16 10:41 AM, Chang Woon Jang wrote:

Dear Justin Lemkul,
Thank you for your response. Yes, I use coarse-grained system
(thermosetting polymer). I prepared the system from the equilibrated
atomistic system. The atomistic system was equilibrated using OPLS-AA force
filed under NPT and NVT for almost 40 ns. The initial atomistic system
contained 13854 atoms. The equilibrated atomistic system was
coarese-grained (mapped) with certain criteria. Now, I am trying to get CG
potentials using iterative Boltzmann Inversion, but this error keeps me
dizzy.

Whenever I use -rdd options, it gives another error like domain
decomposition error with other options recommended. Whenever I use -nt


Please always post exact error messages, copied and pasted directly from the 
terminal or .log file.  We can't guess at what you're reading.



options, the simulation goes well but the simulation trajectory seem weird
that some molecules are going out the simulation box



This is just PBC.  There is no "outside" of a box.  If you've got polymers, they 
will elongate and contract depending on their physical behavior.  There's 
nothing wrong with that.


-Justin


It seems tricky to find what is the problem.

Thank you.

Best regards,
Changwoon Jang

On Tue, Aug 30, 2016 at 8:37 AM, Justin Lemkul  wrote:




On 8/29/16 6:02 PM, Chang Woon Jang wrote:


Dear Gromacs Users,


I have a Fatal error as follow. The error says -rdd option or -ddcheck.
How
can I properly use these options? Is the following command the proper use
of these options?

gmx mdrun -s topol.tpr -c confout.gro -o traj.trr -x traj.xtc -rdd 1.5



-ddcheck



Yes, but note that -ddcheck is on by default anyway, and you should look
into why this might be happening.  You can get around this error, but it
often indicates instability.  Without a complete description of what your
system is, what you've previously done to prepare, minimize, equilibrate,
etc. we're sort of just guessing here.  If the system is coarse grain, then
use of a large -rdd is typical (as you will see from many threads in the
archive that address this case specifically).

-Justin

Thank you.



1 of the 1612 bonded interactions could not be calculated because some
atoms involved moved further apart than the multi-body cut-off distance
(1.5 nm) or the two-body cut-off distance (1.5 nm), see option -rdd, for
pairs and tabulated bonds also see option -ddcheck
For more information and tips for troubleshooting, please check the
GROMACS




Best regards,
Changwoon Jang,



--
==

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalem...@outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

==
--
Gromacs Users mailing list

* Please search the archive at http://www.gromacs.org/Support
/Mailing_Lists/GMX-Users_List before posting!

* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

* For (un)subscribe requests visit
https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
send a mail to gmx-users-requ...@gromacs.org.







--
==

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalem...@outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

==
--
Gromacs Users mailing list

* Please search the archive at 
http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!

* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

* For (un)subscribe requests visit
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mail to gmx-users-requ...@gromacs.org.

Re: [gmx-users] Fatal error: * of the *** bonded interactions could not be calculated because ...

[Chang Woon Jang]

Dear Justin Lemkul,
Thank you for your response. Yes, I use coarse-grained system
(thermosetting polymer). I prepared the system from the equilibrated
atomistic system. The atomistic system was equilibrated using OPLS-AA force
filed under NPT and NVT for almost 40 ns. The initial atomistic system
contained 13854 atoms. The equilibrated atomistic system was
coarese-grained (mapped) with certain criteria. Now, I am trying to get CG
potentials using iterative Boltzmann Inversion, but this error keeps me
dizzy.

Whenever I use -rdd options, it gives another error like domain
decomposition error with other options recommended. Whenever I use -nt
options, the simulation goes well but the simulation trajectory seem weird
that some molecules are going out the simulation box

It seems tricky to find what is the problem.

Thank you.

Best regards,
Changwoon Jang

On Tue, Aug 30, 2016 at 8:37 AM, Justin Lemkul  wrote:

>
>
> On 8/29/16 6:02 PM, Chang Woon Jang wrote:
>
>> Dear Gromacs Users,
>>
>>
>> I have a Fatal error as follow. The error says -rdd option or -ddcheck.
>> How
>> can I properly use these options? Is the following command the proper use
>> of these options?
>>
>> gmx mdrun -s topol.tpr -c confout.gro -o traj.trr -x traj.xtc -rdd 1.5
>>>
>> -ddcheck
>>
>>
> Yes, but note that -ddcheck is on by default anyway, and you should look
> into why this might be happening.  You can get around this error, but it
> often indicates instability.  Without a complete description of what your
> system is, what you've previously done to prepare, minimize, equilibrate,
> etc. we're sort of just guessing here.  If the system is coarse grain, then
> use of a large -rdd is typical (as you will see from many threads in the
> archive that address this case specifically).
>
> -Justin
>
> Thank you.
>>
>>
>> 1 of the 1612 bonded interactions could not be calculated because some
>> atoms involved moved further apart than the multi-body cut-off distance
>> (1.5 nm) or the two-body cut-off distance (1.5 nm), see option -rdd, for
>> pairs and tabulated bonds also see option -ddcheck
>> For more information and tips for troubleshooting, please check the
>> GROMACS
>>
>>
>>
>>
>> Best regards,
>> Changwoon Jang,
>>
>>
> --
> ==
>
> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
>
> Department of Pharmaceutical Sciences
> School of Pharmacy
> Health Sciences Facility II, Room 629
> University of Maryland, Baltimore
> 20 Penn St.
> Baltimore, MD 21201
>
> jalem...@outerbanks.umaryland.edu | (410) 706-7441
> http://mackerell.umaryland.edu/~jalemkul
>
> ==
> --
> Gromacs Users mailing list
>
> * Please search the archive at http://www.gromacs.org/Support
> /Mailing_Lists/GMX-Users_List before posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-requ...@gromacs.org.
>



-- 
Best regards,
Changwoon Jang,

Postdoctoral Research Fellow
Department of Chemical & Biological Engineering, Drexel University
3141 Chestnut Street, Philadelphia, PA 19104

Voice: (662) 617-2267
E-mail: cj...@drexel.edu
-- 
Gromacs Users mailing list

* Please search the archive at 
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mail to gmx-users-requ...@gromacs.org.

Re: [gmx-users] Fatal error: * of the *** bonded interactions could not be calculated because ...

[Justin Lemkul]

On 8/29/16 6:02 PM, Chang Woon Jang wrote:

Dear Gromacs Users,


I have a Fatal error as follow. The error says -rdd option or -ddcheck. How
can I properly use these options? Is the following command the proper use
of these options?


gmx mdrun -s topol.tpr -c confout.gro -o traj.trr -x traj.xtc -rdd 1.5

-ddcheck



Yes, but note that -ddcheck is on by default anyway, and you should look into 
why this might be happening.  You can get around this error, but it often 
indicates instability.  Without a complete description of what your system is, 
what you've previously done to prepare, minimize, equilibrate, etc. we're sort 
of just guessing here.  If the system is coarse grain, then use of a large -rdd 
is typical (as you will see from many threads in the archive that address this 
case specifically).


-Justin


Thank you.


1 of the 1612 bonded interactions could not be calculated because some
atoms involved moved further apart than the multi-body cut-off distance
(1.5 nm) or the two-body cut-off distance (1.5 nm), see option -rdd, for
pairs and tabulated bonds also see option -ddcheck
For more information and tips for troubleshooting, please check the GROMACS




Best regards,
Changwoon Jang,



--
==

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalem...@outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

==
--
Gromacs Users mailing list

* Please search the archive at 
http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!

* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

* For (un)subscribe requests visit
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mail to gmx-users-requ...@gromacs.org.

[gmx-users] Fatal error: * of the *** bonded interactions could not be calculated because ...

[Chang Woon Jang]

Dear Gromacs Users,


I have a Fatal error as follow. The error says -rdd option or -ddcheck. How
can I properly use these options? Is the following command the proper use
of these options?

> gmx mdrun -s topol.tpr -c confout.gro -o traj.trr -x traj.xtc -rdd 1.5
-ddcheck

Thank you.


1 of the 1612 bonded interactions could not be calculated because some
atoms involved moved further apart than the multi-body cut-off distance
(1.5 nm) or the two-body cut-off distance (1.5 nm), see option -rdd, for
pairs and tabulated bonds also see option -ddcheck
For more information and tips for troubleshooting, please check the GROMACS




Best regards,
Changwoon Jang,
-- 
Gromacs Users mailing list

* Please search the archive at 
http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!

* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

* For (un)subscribe requests visit
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